1-[(3-methyl-5-propan-2-yl-phenoxy)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(3-methyl-5-propan-2-yl-phenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(3-isopropyl-5-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 1-[(3-methyl-5-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(3-methyl-5-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 1-[(3-isopropyl-5-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)O)C(C)C

InChI

InChI=1S/C15H18N2O3/c1-10(2)12-6-11(3)7-13(8-12)20-9-17-5-4-14(16-17)15(18)19/h4-8,10H,9H2,1-3H3,(H,18,19)